N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(dimethylamino)methyl]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]acetamide

C23H26N8OS — CID 59298940

IUPACN-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(dimethylamino)methyl]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(Sc2cc3nc(CN(C)C)cn3c(Nc3cc(C4CC4)[nH]n3)n2)cc1
InChIInChI=1S/C23H26N8OS/c1-14(32)24-16-6-8-18(9-7-16)33-22-11-21-25-17(12-30(2)3)13-31(21)23(27-22)26-20-10-19(28-29-20)15-4-5-15/h6-11,13,15H,4-5,12H2,1-3H3,(H,24,32)(H2,26,27,28,29)
InChIKeyNMGQHZSDJYLJRB-UHFFFAOYSA-N
MW462.58 g/mol
LogP4.24
Rot. Bonds8

About N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(dimethylamino)methyl]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]acetamide

N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(dimethylamino)methyl]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]acetamide (PubChem CID 59298940) has the molecular formula C23H26N8OS and a molecular weight of 462.58 g/mol. Its IUPAC name is N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(dimethylamino)methyl]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(dimethylamino)methyl]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]acetamide
PubChem CID59298940
Molecular FormulaC23H26N8OS
Molecular Weight462.58 g/mol
Exact Mass462.20
IUPAC NameN-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(dimethylamino)methyl]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(Sc2cc3nc(CN(C)C)cn3c(Nc3cc(C4CC4)[nH]n3)n2)cc1
InChIInChI=1S/C23H26N8OS/c1-14(32)24-16-6-8-18(9-7-16)33-22-11-21-25-17(12-30(2)3)13-31(21)23(27-22)26-20-10-19(28-29-20)15-4-5-15/h6-11,13,15H,4-5,12H2,1-3H3,(H,24,32)(H2,26,27,28,29)
InChIKeyNMGQHZSDJYLJRB-UHFFFAOYSA-N
XLogP4.24
TPSA103.24 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.58
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(dimethylamino)methyl]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]acetamide?
The IUPAC name of N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(dimethylamino)methyl]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]acetamide (CID 59298940) is N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(dimethylamino)methyl]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]acetamide.
What is the SMILES notation for N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(dimethylamino)methyl]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]acetamide?
The canonical SMILES for N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(dimethylamino)methyl]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]acetamide is CC(=O)Nc1ccc(Sc2cc3nc(CN(C)C)cn3c(Nc3cc(C4CC4)[nH]n3)n2)cc1.
What is the InChIKey of N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(dimethylamino)methyl]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]acetamide?
The InChIKey is NMGQHZSDJYLJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8OS/c1-14(32)24-16-6-8-18(9-7-16)33-22-11-21-25-17(12-30(2)3)13-31(21)23(27-22)26-20-10-19(28-29-20)15-4-5-15/h6-11,13,15H,4-5,12H2,1-3H3,(H,24,32)(H2,26,27,28,29).
What are the key properties of N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(dimethylamino)methyl]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]acetamide?
N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(dimethylamino)methyl]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]acetamide has a molecular weight of 462.58 g/mol, XLogP of 4.24, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(dimethylamino)methyl]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]acetamide is sourced from PubChem (CID 59298940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).